Information card for entry 2219984

Structure parameters

• Chemical name: (E)-3-(3-Bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
• Formula: C16 H13 Br O
• Calculated formula: C16 H13 Br O
• SMILES: Brc1cc(ccc1)/C=C/C(=O)c1ccc(cc1)C
• Title of publication: (<i>E</i>)-3-(3-Bromophenyl)-1-(4-methylphenyl)prop-2-en-1-one
• Authors of publication: Li, Hongqi; Sarojini, B. K.; Raj, C. G. D.; Madhu, L. N.; Yathirajan, H. S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2238
• a: 5.8984 ± 0.0016 Å
• b: 7.3015 ± 0.0019 Å
• c: 15.559 ± 0.004 Å
• α: 83.461 ± 0.005°
• β: 87.86 ± 0.004°
• γ: 88.446 ± 0.005°
• Cell volume: 665.1 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0886
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes